methyl (5S,6R,7E,9E,11Z,13E,15S)-17-(4-fluorophenyl)-5,6,15-tris(oxidanyl)heptadeca-7,9,11,13-tetraenoate

Systemtic Name: methyl (5S,6R,7E,9E,11Z,13E,15S)-17-(4-fluorophenyl)-5,6,15-tris(oxidanyl)heptadeca-7,9,11,13-tetraenoate Openeye Name: methyl (5S,6R,7E,9E,11Z,13E,15S)-17-(4-fluorophenyl)-5,6,15-trihydroxy-heptadeca-7,9,11,13-tetraenoate CAS Name: (5S,6R,7E,9E,11Z,13E,15S)-17-(4-fluorophenyl)-5,6,15-trihydroxyheptadeca-7,9,11,13-tetraenoic acid methyl ester IUPAC Name: methyl (5S,6R,7E,9E,11Z,13E,15S)-17-(4-fluorophenyl)-5,6,15-trihydroxyheptadeca-7,9,11,13-tetraenoate Traditional Name: (5S,6R,7E,9E,11Z,13E,15S)-17-(4-fluorophenyl)-5,6,15-trihydroxy-heptadeca-7,9,11,13-tetraenoic acid methyl ester Formula: C24H31FO5 MolecularWeight: 418.498343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C(C=CC=CC=CC=CC(CCC1=CC=C(C=C1)F)O)O)O

Isomeric SMILES

COC(=O)CCC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@H](CCC1=CC=C(C=C1)F)O)O)O

InChI

InChI=1S/C24H31FO5/c1-30-24(29)12-8-11-23(28)22(27)10-7-5-3-2-4-6-9-21(26)18-15-19-13-16-20(25)17-14-19/h2-7,9-10,13-14,16-17,21-23,26-28H,8,11-12,15,18H2,1H3/b4-2-,5-3+,9-6+,10-7+/t21-,22-,23+/m1/s1